2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole

C19H18N2O2 — CID 122473006

IUPAC2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole
SMILESCc1ccc2c(c1)cc1n2CC(c2ccccc2)([N+](=O)[O-])CC1
InChIInChI=1S/C19H18N2O2/c1-14-7-8-18-15(11-14)12-17-9-10-19(21(22)23,13-20(17)18)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3
InChIKeyXEHDTLPYNDDAPJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.07
Rot. Bonds2

About 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole

2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole (PubChem CID 122473006) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole.

Molecular Properties

Compound Name2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole
PubChem CID122473006
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole
SMILESCc1ccc2c(c1)cc1n2CC(c2ccccc2)([N+](=O)[O-])CC1
InChIInChI=1S/C19H18N2O2/c1-14-7-8-18-15(11-14)12-17-9-10-19(21(22)23,13-20(17)18)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3
InChIKeyXEHDTLPYNDDAPJ-UHFFFAOYSA-N
XLogP4.07
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole?
The IUPAC name of 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole (CID 122473006) is 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole.
What is the SMILES notation for 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole?
The canonical SMILES for 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole is Cc1ccc2c(c1)cc1n2CC(c2ccccc2)([N+](=O)[O-])CC1.
What is the InChIKey of 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole?
The InChIKey is XEHDTLPYNDDAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-14-7-8-18-15(11-14)12-17-9-10-19(21(22)23,13-20(17)18)16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3.
What are the key properties of 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole?
2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole has a molecular weight of 306.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-nitro-7-phenyl-8,9-dihydro-6H-pyrido[1,2-a]indole is sourced from PubChem (CID 122473006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).